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Sr4Np5

Alexandria ALEX

Alex-ID: agm009809101 · Space group: P-1 (#2)

Basic Information

Formula
Sr4Np5
Alex-ID
agm009809101
Elements
2
Sites
9
Space group
P-1 (#2)
Crystal system
triclinic
Volume
297.74
ų
Cell a
3.6818
Å
Cell b
6.8322
Å
Cell c
12.7277
Å
α angle
96.02
°
β angle
86.03
°
γ angle
110.66
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Sr4Np5
Sr
4.00 · 44.4%
Np
5.00 · 55.6%

Energy & Stability

Energy above hull
0.4334
eV/atom
Formation energy
0.4334
eV/atom
Corrected total energy
-67.5613
eV
Raw total energy
-67.5612
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0003
eV
DOS at Fermi level
21.5562
Total magnetisation
3.1124
μB

Additional Information

Prototype ID

A4B5_682_spg2

Decomposition

Np Sr

Computed at

2024-04-06 15:02:27

Citation

Alexandria website
https://alexandria.icams.rub.de/
Attribution

The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm009809101).

Reference

Th. Cavignac, J. Schmidt, P.-P. De Breuck, A. Loew, T. F. T. Cerqueira, H.-C. Wang, A. Bochkarev, Y. Lysogorskiy, A. H. Romero, R. Drautz, S. Botti and M. A. L. Marques. AI-Driven expansion and application of the Alexandria database. J. Phys. Mater. 9, 025014 (2026). https://doi.org/10.1088/2515-7639/ae6620

BibTeX
@article{Cavignac2026Alexandria,
  author  = {Cavignac, Th{\'e}o and Schmidt, Jonathan and De Breuck, Pierre-Paul and Loew, Antoine
             and Cerqueira, Tiago F. T. and Wang, Hai-Chen and Bochkarev, Anton
             and Lysogorskiy, Yury and Romero, Aldo H. and Drautz, Ralf and Botti, Silvana
             and Marques, Miguel A. L.},
  title   = {{AI}-Driven expansion and application of the {A}lexandria database},
  journal = {Journal of Physics: Materials},
  year    = {2026},
  volume  = {9},
  number  = {2},
  pages   = {025014},
  doi     = {10.1088/2515-7639/ae6620},
  url     = {https://doi.org/10.1088/2515-7639/ae6620}
}

3D Crystal Structure Rendering

Loading 3D structure…

Style: Ball & Stick
Raw CIF Data
# CIF generated by HEAS from Alexandria entry agm009809101
data_agm009809101
_cell_length_a     3.68178
_cell_length_b     6.83216
_cell_length_c     12.72774
_cell_angle_alpha  96.02422
_cell_angle_beta   86.02634
_cell_angle_gamma  110.65851
_cell_volume       297.73959
_symmetry_space_group_name_H-M 'P 1'
_symmetry_Int_Tables_number 1
loop_
_symmetry_equiv_pos_as_xyz
  'x, y, z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
  Sr1 Sr 0.38124 0.25361 0.58592 1.00000
  Sr2 Sr 0.61876 0.74639 0.41408 1.00000
  Sr3 Sr 0.14193 0.76152 0.72643 1.00000
  Sr4 Sr 0.85807 0.23848 0.27357 1.00000
  Np1 Np 0.85110 0.23001 0.87574 1.00000
  Np2 Np 0.14890 0.76999 0.12426 1.00000
  Np3 Np 0.44842 0.64799 0.96776 1.00000
  Np4 Np 0.55158 0.35201 0.03224 1.00000
  Np5 Np 0.00000 0.00000 0.00000 1.00000
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